SCHEMBL30851345

SCHEMBL30851345

c1ccc2c(c1)-c1ccccc1C2(c1ccc2ccccc2c1)c1ccc2ccccc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
KDM4E B2RXH2 1/20 0.53
LMNA P02545 1/20 0.53
MAPT P10636 1/20 0.53
OPRK1 P41145 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
ESR1 P03372 1/20 0.53
ESR2 Q92731 1/20 0.53
SLC6A4 P31645 6/20 0.43
SLC6A3 Q01959 6/20 0.43
SLC6A2 P23975 5/20 0.43
HSP90AA1 P07900 1/20 0.39
POLB P06746 1/20 0.37
CYP2A6 P11509 3/20 0.37
CYP1A2 P05177 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP3A4 P08684 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9974968 1.00 MEN1 (0.53) MEN1KMT2AKDM4ELMNAMAPT
SCHEMBL28789120 0.94 MEN1 (0.53) MEN1KMT2AKDM4ELMNAMAPT
SCHEMBL29369861 0.94 MEN1 (0.53) MEN1KMT2AKDM4ELMNAMAPT
SCHEMBL25019711 0.89 LMNA (0.49) MEN1KMT2AKDM4ELMNAMAPT
SCHEMBL34464583 0.89 MEN1 (0.49) MEN1KMT2AKDM4ELMNAMAPT
SCHEMBL16137632 0.89 CYP1A2 (0.57) MEN1KMT2AKDM4ELMNAMAPT
Betanaphthol SCHEMBL28384794 0.89 CYP1A2 (0.57) MEN1KMT2AKDM4ELMNAMAPT
SCHEMBL18167752 0.89 ESR2 (0.53) MEN1KMT2AKDM4ELMNAMAPT
SCHEMBL16922975 0.87 CYP2A6 (0.48) MEN1KMT2AKDM4ELMNAMAPT
SCHEMBL34464558 0.87 CYP2A6 (0.44) MEN1KMT2AKDM4ELMNAMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117866195-A High refractive index material 罗门哈斯电子材料有限责任公司 2024-04-12 CN disclosed